12,15-Epoxy-13,14-dimethyleicosa-12,14-dienoic acid

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  • Identifiers

    CAS number
    57818-36-7

    Molecular formula
    C22H38O3

    SMILES
    CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 63.24%
    Waxy 58.3%
    Oily 37.87%
    Creamy 32.98%
    Dairy 32.39%
    Meaty 30.85%
    Floral 30.71%
    Milky 30.01%
    Animal 27.43%
    Savory 26.49%

     

    Flavor
    Fatty 43.75%
    Mild 34.79%
    Waxy 33.33%
    Oily 32.43%
    Bland 30.2%
    Fat 27.14%
    Odorless 25.99%
    Faint 24.25%
    Slightly waxy 24.12%
    Coconut 24.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    7.7 (neutral)

    Molecular weight
    350.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point

    • 218.78 ˚C est.

  • Synonyms

    • 57818-36-7
    • 12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid
    • furanoid F-Acid F6
    • RefChem:908037
    • 3,4-Dimethyl-5-pentyl-2-furanundecanoic acid
    • 11-(3,4-DIMETHYL-5-PENTYLFURAN-2-YL)UNDECANOIC ACID
    • Furan Fatty Acid F6
    • 12,15-epoxy-13,14-dimethyl-12,14-eicosadienoic acid
    • 11-(3,4-dimethyl-5-pentyl-2-furyl)undecanoic acid
    • F6 Acid
    • Furanoid acid - F6
    • WBZ3SVM6H5
    • 2-Furanundecanoic acid, 3,4-dimethyl-5-pentyl-
    • DiMe(11,5)
    • SCHEMBL3315880
    • DTXSID80553387
    • CHEBI:172575
    • HY-N7737
    • LMFA01150002
    • LMFA01150070
    • MFCD30474279
    • AKOS030255367
    • 11D5
    • PD063988
    • DB-304121
    • 5-pentanyl-3,4-dimethyl-2-furan-undecanoic acid
    • 11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoic acid
    • 5-(pentanyl)-3,4-dimethyl-furan-2-yl-undecanoic acid
    • 11-(3,4-Dimethyl-5-pentyl-furan-2-yl)undecanoic acid
    • 11-(3,4-dimethyl-5-pentylfuran-2-yl)-undecanoic acid
    • 57818-36-7

  • Applications

    12,15-Epoxy-13,14-dimethyleicosa-12,14-dienoic acid (CAS 57818-36-7) is an epoxy fatty acid that serves primarily as a reactive monomer/intermediate for polymers and coatings. Typical applications include use as a monomer or reactive diluent in epoxy resin systems for coatings, adhesives, and electronics; as a precursor for the synthesis of bio-based polyesters, polyurethanes, and polyols derived from fatty acids; participation in UV-curable coatings and inks for rapid cure; conversion into functionalized epoxy derivatives to improve adhesion, hardness, and thermal stability of films; and potential use as an additive or processing aid to enhance handling and performance of plastics and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 718.18
    methanol 614.9
    isopropanol 635.44
    water 0.13
    ethyl acetate 1122.17
    n-propanol 665.43
    acetone 1161.21
    n-butanol 634.49
    acetonitrile 223.52
    DMF 1510.71
    toluene 352.44
    isobutanol 556.65
    1,4-dioxane 1443.18
    methyl acetate 707.73
    THF 2720.14
    2-butanone 1151.52
    n-pentanol 451.13
    sec-butanol 650.57
    n-hexane 64.61
    ethylene glycol 17.01
    NMP 1396.34
    cyclohexane 182.98
    DMSO 850.82
    n-butyl acetate 865.41
    n-octanol 160.56
    chloroform 1643.23
    n-propyl acetate 1024.08
    acetic acid 284.18
    dichloromethane 1996.36
    cyclohexanone 1886.64
    propylene glycol 62.11
    isopropyl acetate 992.52
    DMAc 2098.03
    2-ethoxyethanol 781.21
    isopentanol 654.31
    n-heptane 26.66
    ethyl formate 403.22
    1,2-dichloroethane 1377.48
    n-hexanol 293.57
    2-methoxyethanol 815.32
    isobutyl acetate 716.23
    tetrachloromethane 326.22
    n-pentyl acetate 822.32
    transcutol 2241.25
    n-heptanol 198.49
    ethylbenzene 216.75
    MIBK 769.28
    2-propoxyethanol 682.81
    tert-butanol 734.69
    MTBE 1496.41
    2-butoxyethanol 523.3
    propionic acid 334.81
    o-xylene 247.24
    formic acid 56.97
    diethyl ether 1274.51
    m-xylene 232.31
    p-xylene 312.28
    chlorobenzene 530.5
    dimethyl carbonate 212.26
    n-octane 17.28
    formamide 151.23
    cyclopentanone 1703.31
    2-pentanone 1164.21
    anisole 562.89
    cyclopentyl methyl ether 1177.44
    gamma-butyrolactone 1434.56
    1-methoxy-2-propanol 812.15
    pyridine 951.25
    3-pentanone 773.35
    furfural 870.22
    n-dodecane 11.63
    diethylene glycol 210.86
    diisopropyl ether 312.22
    tert-amyl alcohol 756.04
    acetylacetone 1073.52
    n-hexadecane 14.32
    acetophenone 559.72
    methyl propionate 699.84
    isopentyl acetate 898.16
    trichloroethylene 1866.1
    n-nonanol 162.12
    cyclohexanol 638.09
    benzyl alcohol 346.71
    2-ethylhexanol 216.46
    isooctanol 207.69
    dipropyl ether 409.69
    1,2-dichlorobenzene 541.36
    ethyl lactate 251.64
    propylene carbonate 782.38
    n-methylformamide 447.0
    2-pentanol 434.97
    n-pentane 53.28
    1-propoxy-2-propanol 546.56
    1-methoxy-2-propyl acetate 809.46
    2-(2-methoxypropoxy) propanol 405.22
    mesitylene 152.96
    ε-caprolactone 1601.87
    p-cymene 110.23
    epichlorohydrin 1867.98
    1,1,1-trichloroethane 1132.88
    2-aminoethanol 110.42
    morpholine-4-carbaldehyde 1350.48
    sulfolane 1563.66
    2,2,4-trimethylpentane 50.25
    2-methyltetrahydrofuran 2027.53
    n-hexyl acetate 753.21
    isooctane 27.76
    2-(2-butoxyethoxy)ethanol 622.91
    sec-butyl acetate 801.99
    tert-butyl acetate 1081.16
    decalin 70.48
    glycerin 77.97
    diglyme 1489.62
    acrylic acid 170.1
    isopropyl myristate 229.42
    n-butyric acid 837.84
    acetyl acetate 495.36
    di(2-ethylhexyl) phthalate 200.7
    ethyl propionate 757.22
    nitromethane 664.84
    1,2-diethoxyethane 1168.1
    benzonitrile 355.94
    trioctyl phosphate 133.5
    1-bromopropane 845.41
    gamma-valerolactone 2370.42
    n-decanol 103.13
    triethyl phosphate 252.63
    4-methyl-2-pentanol 266.24
    propionitrile 348.11
    vinylene carbonate 572.95
    1,1,2-trichlorotrifluoroethane 741.61
    DMS 479.32
    cumene 146.56
    2-octanol 169.35
    2-hexanone 875.22
    octyl acetate 302.21
    limonene 205.33
    1,2-dimethoxyethane 1747.74
    ethyl orthosilicate 279.64
    tributyl phosphate 190.2
    diacetone alcohol 737.64
    N,N-dimethylaniline 355.73
    acrylonitrile 280.44
    aniline 390.81
    1,3-propanediol 303.59
    bromobenzene 582.96
    dibromomethane 1156.93
    1,1,2,2-tetrachloroethane 1680.83
    2-methyl-cyclohexyl acetate 519.5
    tetrabutyl urea 278.99
    diisobutyl methanol 135.46
    2-phenylethanol 293.42
    styrene 274.69
    dioctyl adipate 367.77
    dimethyl sulfate 395.39
    ethyl butyrate 650.64
    methyl lactate 201.63
    butyl lactate 432.32
    diethyl carbonate 333.45
    propanediol butyl ether 327.36
    triethyl orthoformate 453.2
    p-tert-butyltoluene 108.52
    methyl 4-tert-butylbenzoate 496.29
    morpholine 2079.84
    tert-butylamine 470.71
    n-dodecanol 72.67
    dimethoxymethane 1104.39
    ethylene carbonate 633.18
    cyrene 408.14
    2-ethoxyethyl acetate 1002.9
    2-ethylhexyl acetate 691.66
    1,2,4-trichlorobenzene 607.1
    4-methylpyridine 1031.81
    dibutyl ether 431.18
    2,6-dimethyl-4-heptanol 135.46
    DEF 1413.88
    dimethyl isosorbide 794.21
    tetrachloroethylene 1079.3
    eugenol 412.22
    triacetin 627.41
    span 80 336.5
    1,4-butanediol 117.25
    1,1-dichloroethane 1181.48
    2-methyl-1-pentanol 480.92
    methyl formate 231.65
    2-methyl-1-butanol 615.69
    n-decane 24.97
    butyronitrile 520.91
    3,7-dimethyl-1-octanol 190.42
    1-chlorooctane 158.05
    1-chlorotetradecane 49.1
    n-nonane 22.28
    undecane 15.84
    tert-butylcyclohexane 57.65
    cyclooctane 34.61
    cyclopentanol 605.29
    tetrahydropyran 2112.43
    tert-amyl methyl ether 953.83
    2,5,8-trioxanonane 765.18
    1-hexene 284.84
    2-isopropoxyethanol 631.8
    2,2,2-trifluoroethanol 123.43
    methyl butyrate 1095.13

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction